ethyl 4-(hydroxyamino)-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate

C19H18N2O4 — CID 4996263

IUPACethyl 4-(hydroxyamino)-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate
SMILESCCOC(=O)C1=C(NO)C(=O)N(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C19H18N2O4/c1-2-25-19(23)15-16(20-24)18(22)21(14-11-7-4-8-12-14)17(15)13-9-5-3-6-10-13/h3-12,17,20,24H,2H2,1H3
InChIKeyMKDCCWMKSFYPLV-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.57
Rot. Bonds5

About ethyl 4-(hydroxyamino)-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate

ethyl 4-(hydroxyamino)-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate (PubChem CID 4996263) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is ethyl 4-(hydroxyamino)-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(hydroxyamino)-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate
PubChem CID4996263
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Nameethyl 4-(hydroxyamino)-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate
SMILESCCOC(=O)C1=C(NO)C(=O)N(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C19H18N2O4/c1-2-25-19(23)15-16(20-24)18(22)21(14-11-7-4-8-12-14)17(15)13-9-5-3-6-10-13/h3-12,17,20,24H,2H2,1H3
InChIKeyMKDCCWMKSFYPLV-UHFFFAOYSA-N
XLogP2.57
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-(4-bromoanilino)-1-(4-bromophenyl)-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate
CID 162663143
ethyl 4-(4-methoxyanilino)-1-(4-methoxyphenyl)-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate
CID 162674101
diethyl (2S,5R)-1,2,5-triphenyl-2,5-dihydropyrrole-3,4-dicarboxylate
CID 92534220
ethyl 6-methyl-1,2,3,4-tetraphenyl-2,4-dihydropyrimidine-5-carboxylate
CID 45064251
ethyl 4-hydroxy-5-oxo-2-phenyl-1-(4-sulfamoylphenyl)-2H-pyrrole-3-carboxylate
CID 54679389
ethyl (2R)-4-hydroxy-2-(4-nitrophenyl)-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate
CID 54726189
methyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate
CID 54736162
4-(carboxymethylamino)-3-ethoxycarbonyl-5-oxo-1-phenyl-2H-pyrrole-2-carboxylic acid
CID 11638821
diethyl 4-hydroxy-5-oxo-1-phenyl-2H-pyrrole-2,3-dicarboxylate
CID 101257938
benzyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate
CID 54702886
ethyl (2S)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate
CID 54737892
(2R)-3-acetyl-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one
CID 790603

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(hydroxyamino)-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 4-(hydroxyamino)-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate (CID 4996263) is ethyl 4-(hydroxyamino)-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 4-(hydroxyamino)-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 4-(hydroxyamino)-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate is CCOC(=O)C1=C(NO)C(=O)N(c2ccccc2)C1c1ccccc1.
What is the InChIKey of ethyl 4-(hydroxyamino)-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate?
The InChIKey is MKDCCWMKSFYPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-2-25-19(23)15-16(20-24)18(22)21(14-11-7-4-8-12-14)17(15)13-9-5-3-6-10-13/h3-12,17,20,24H,2H2,1H3.
What are the key properties of ethyl 4-(hydroxyamino)-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate?
ethyl 4-(hydroxyamino)-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate has a molecular weight of 338.36 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(hydroxyamino)-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate is sourced from PubChem (CID 4996263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).